3-chloro-2,4-bis(trifluoromethyl)aniline

C8H4ClF6N — CID 118991382

IUPAC3-chloro-2,4-bis(trifluoromethyl)aniline
SMILESNc1ccc(C(F)(F)F)c(Cl)c1C(F)(F)F
InChIInChI=1S/C8H4ClF6N/c9-6-3(7(10,11)12)1-2-4(16)5(6)8(13,14)15/h1-2H,16H2
InChIKeyDXTWUWBAJCYHJR-UHFFFAOYSA-N
MW263.57 g/mol
LogP3.96
Rot. Bonds

About 3-chloro-2,4-bis(trifluoromethyl)aniline

3-chloro-2,4-bis(trifluoromethyl)aniline (PubChem CID 118991382) has the molecular formula C8H4ClF6N and a molecular weight of 263.57 g/mol. Its IUPAC name is 3-chloro-2,4-bis(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-chloro-2,4-bis(trifluoromethyl)aniline
PubChem CID118991382
Molecular FormulaC8H4ClF6N
Molecular Weight263.57 g/mol
Exact Mass262.99
IUPAC Name3-chloro-2,4-bis(trifluoromethyl)aniline
SMILESNc1ccc(C(F)(F)F)c(Cl)c1C(F)(F)F
InChIInChI=1S/C8H4ClF6N/c9-6-3(7(10,11)12)1-2-4(16)5(6)8(13,14)15/h1-2H,16H2
InChIKeyDXTWUWBAJCYHJR-UHFFFAOYSA-N
XLogP3.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.57
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-fluoro-4-(trifluoromethyl)aniline
CID 130849089
6-amino-2-chloro-3-(trifluoromethyl)benzenethiol
CID 19906352
2-chloro-3-methyl-4-(trifluoromethyl)aniline
CID 118991011
2-chloro-6-fluoro-3-(trifluoromethyl)aniline
CID 54099645
6-bromo-2-chloro-3-(trifluoromethyl)aniline
CID 129201873
4-amino-3-chloro-2-(trifluoromethyl)phenol
CID 119003890
2-chloro-4-methyl-3-(trifluoromethyl)aniline
CID 119003965
2-chloro-4-(chloromethyl)-3-(trifluoromethyl)aniline
CID 130971493
2,3-dichloro-6-(trifluoromethyl)aniline
CID 21257594
2-[6-amino-2-chloro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134655848
methyl 4-amino-2-chloro-3-(trifluoromethyl)benzoate
CID 131512668
3-[3-[3-amino-2,6-bis(trifluoromethyl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]-2,4-bis(trifluoromethyl)aniline
CID 18691783

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,4-bis(trifluoromethyl)aniline?
The IUPAC name of 3-chloro-2,4-bis(trifluoromethyl)aniline (CID 118991382) is 3-chloro-2,4-bis(trifluoromethyl)aniline.
What is the SMILES notation for 3-chloro-2,4-bis(trifluoromethyl)aniline?
The canonical SMILES for 3-chloro-2,4-bis(trifluoromethyl)aniline is Nc1ccc(C(F)(F)F)c(Cl)c1C(F)(F)F.
What is the InChIKey of 3-chloro-2,4-bis(trifluoromethyl)aniline?
The InChIKey is DXTWUWBAJCYHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF6N/c9-6-3(7(10,11)12)1-2-4(16)5(6)8(13,14)15/h1-2H,16H2.
What are the key properties of 3-chloro-2,4-bis(trifluoromethyl)aniline?
3-chloro-2,4-bis(trifluoromethyl)aniline has a molecular weight of 263.57 g/mol, XLogP of 3.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,4-bis(trifluoromethyl)aniline is sourced from PubChem (CID 118991382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).